0 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 23724 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 CC1=CC=C(B(O)O)O1 17393 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CC1=CC=C(B(O)O)S1 7558 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 CC1=CSC(B(O)O)=C1 6437 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 15969 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 CC1=NN=C(C(=O)[O-])O1 27297 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CN1C=C(C(=O)O)C=N1 20860 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 CN1C=C([N+](=O)[O-])C=N1 32365 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 CN1C=CC(C(N)=O)=N1 24146 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 Cn1cc(B(O)O)cn1 9748 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 NC(=O)C1=CN=C(Br)S1 34305 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.1 CC1=CC(C=O)=CS1 34688 [1,0,0,0,0,0|0,0,0]=1 46 B8R1.1 CC1=CC(C=O)=NO1 11024 [1,0,0,0,0,0|1,1,0]=3 47 B8R1.1 CC1=CC(CO)=NO1 8686 [1,0,0,0,0,0|1,1,1]=4 48 B8R1.1 CC1=CC=C(C=O)O1 9971 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.1 CC1=CC=C(C=O)S1 5205 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 CC1=CC=C(CO)O1 9804 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.1 CC1=CSC(C=O)=N1 15253 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 CC1=NC(C=O)=CS1 15112 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.1 CC1=NC(CCl)=CS1 15753 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.1 CC1=NNC(C=O)=C1 24109 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.1 CN1C=C(C=O)C=N1 34544 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.1 CN1C=C(CO)C=N1 13305 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.1 N#CC1=CSC(Br)=C1 22002 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.1 NC1=NC(CO)=CS1 8902 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.1 NC1=NC=C(C=O)S1 8904 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.1 O=CC1=CC(Br)=CO1 3545 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.1 O=CC1=CC(Br)=CS1 5188 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 O=CC1=CC=C(Br)O1 27066 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 O=CC1=CC=C(Br)S1 10834 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 O=CC1=CC=C(Br)S1 16744 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 O=CC1=CN=C(Br)S1 21412 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.1 O=CC1=CN=C(Cl)S1 24698 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.1 O=CC1=CSC(Br)=C1 20351 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.1 O=CC1=CSC(Br)=N1 8915 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.1 O=CC1=NNC(Br)=C1 23621 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 CC(=O)C1=CC=CN1 20915 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.7 CC(=O)C1=CC=CO1 6939 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.7 CC(=O)C1=CC=CS1 5172 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.7 CC(=O)C1=CNC=C1 22508 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.7 CC(=O)C1=CNC=N1 12484 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 CC(=O)C1=CNN=C1 30409 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.7 CC(=O)C1=CSC=C1 5220 [1,0,0,0,0,0|1,0,0]=2 78 B8R1.7 CC(=O)N1C=CN=C1 25826 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.7 NC(=O)C1=NNC=C1 14330 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.7 O=C(O)C1=CC=CN1 15698 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.7 O=C(O)C1=CC=CO1 6946 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.7 O=C(O)C1=CC=CS1 5157 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.7 O=C(O)C1=CC=NN1 12935 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.7 O=C(O)C1=CC=NN1 35926 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.7 O=C(O)C1=CC=NO1 8643 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.7 O=C(O)C1=CC=NS1 30427 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.7 O=C(O)C1=CN=CN1 9003 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.7 O=C(O)C1=CN=CS1 14533 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.7 O=C(O)C1=CNC=C1 8345 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.7 O=C(O)C1=CNN=C1 13293 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.7 O=C(O)C1=CNN=N1 13727 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.7 O=C(O)C1=COC=C1 6945 [1,0,0,0,0,0|0,1,0]=2 97 B8R1.7 O=C(O)C1=COC=N1 11025 [1,0,0,0,0,0|1,1,0]=3 98 B8R1.7 O=C(O)C1=CON=C1 8775 [1,0,0,0,0,0|1,1,0]=3 99 B8R1.7 O=C(O)C1=CSC=C1 7735 [1,0,0,0,0,0|0,0,0]=1 100 B8R1.7 O=C(O)C1=CSC=N1 35764 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.7 O=C(O)C1=NC=CN1 25373 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.7 O=C(O)C1=NC=CS1 16257 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.7 O=C(O)C1=NN=CS1 18394 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 O=C(O)C1=NOC=C1 12341 [1,0,0,0,0,0|1,1,0]=3 105 B8R1.7 O=C(O)C1=NSC=C1 22100 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [1,0,0,0,0,0|1,0,1]=3 107 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.7 O=C([O-])C1=CC=CS1 32366 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.7 O=[N+]([O-])C1=CNC=C1 22365 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.7 OB(O)C1=CNC=C1 23546 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.7 OB(O)C1=COC=C1 6439 [1,0,0,0,0,0|1,1,1]=4 112 B8R1.7 OB(O)C1=CSC=C1 1884 [1,0,0,0,0,0|1,0,1]=3 113 B8R1.7 OB(O)C1=CSC=N1 23536 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.14 COC(=O)C1=CC(O)=NO1 25470 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.14 COC(=O)C1=CN(C)C=N1 9002 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 COC(=O)C1=CN(C)N=C1 23709 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.14 COC(=O)C1=CN(C)N=N1 19252 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.14 COC(=O)C1=CN=C(Br)S1 17197 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.14 COC(=O)C1=CN=C(N)S1 23603 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.14 COC(=O)C1=COC(C)=N1 11666 [0,1,0,0,0,0|1,1,0]=3 125 B10R1.14 COC(=O)C1=CSC(Br)=C1 27871 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.14 COC(=O)C1=CSC(Br)=C1 32397 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.14 COC(=O)C1=CSC(Br)=N1 8920 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.14 COC(=O)C1=CSC(N)=N1 9926 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.14 COC(=O)C1=NC(C)=CS1 17196 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.14 COC(=O)C1=NC=C(C)S1 23005 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.14 COC(=O)C1=NN(C)C=C1 23715 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.14 COC(=O)C1=NN(C)N=C1 19254 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.14 COC(=O)C1=NSC(N)=C1 23749 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.14 COC(=O)c1cnc(C)o1 23889 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.31 CCC1=CC(C(=O)O)=NO1 22635 [0,1,0,0,0,0|1,1,0]=3 137 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.31 N#CC1=NNC(C(=O)O)=C1 23650 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.31 O=CC1=CC(B(O)O)=CS1 10549 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.58 CN1N=C(C(=O)O)C=C1Br 34338 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 29050 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7747 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 9941 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 6964 [0,1,0,0,0,0|1,1,0]=3 146 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 5517 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.59 CC1=C(C(=O)O)NC(Br)=N1 25251 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 23205 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 6936 [0,1,0,0,0,0|1,1,0]=3 151 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 7740 [0,1,0,0,0,0|0,0,0]=1 152 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 17689 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 33408 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 7839 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 16814 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 13400 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.59 NC(=O)C1=C(N)SC(S)=N1 25298 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.59 O=C(Cl)C1=C(Cl)SC(Cl)=C1 15832 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 32435 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.59 O=C(O)C1=C(Br)SC(Br)=N1 34259 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 22346 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 27356 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.59 OB(O)C1=C(Cl)SC(Cl)=C1 33709 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.194 CC(=O)C1=CNC(Br)=C1C 22819 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.194 CC1=C(C(=O)O)C=NN1C 24796 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 24640 [0,1,0,0,0,0|1,1,0]=3 169 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.194 CN1N=CC(C(=O)O)=C1Cl 23734 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.28 O=C(O)\C=C\CC(=O)O 35121 [0,0,1,0,0,0|3,0,0]=4 172 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,0,0,0,0,1|2,0,0]=3 181 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [0,0,0,0,0,1|2,0,1]=4 187 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [0,0,0,0,0,1|2,0,1]=4 188 B10R1.13 CC1=CC=C(B(O)O)C=N1 17081 [0,0,0,0,0,1|2,0,1]=4 189 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,0,0,0,0,1|1,0,0]=2 191 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [0,0,0,0,0,1|1,1,0]=3 194 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [0,0,0,0,0,1|2,0,1]=4 196 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,0,0,0,0,1|2,0,1]=4 197 B10R1.13 CC1=CN=C(B(O)O)C=C1 6938 [0,0,0,0,0,1|2,0,1]=4 198 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,0,0,0,0,1|1,0,0]=2 199 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,0,0,0,0,1|1,0,0]=2 202 B10R1.13 CC1=NC=C(C(=O)O)C=N1 13290 [0,0,0,0,0,1|1,0,0]=2 203 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 6699 [0,0,0,0,0,1|2,0,1]=4 204 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 32127 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.13 NC(=O)C1=NC=C(N)N=C1 32178 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.13 NC1=NC=C(C(=O)O)C=N1 18198 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 17692 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,0,0,0,0,1|2,0,0]=3 229 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 29068 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 16922 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 29199 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.54 NC1=NC(CC(=O)O)=CS1 20693 [0,0,0,0,0,1|2,0,0]=3 248 B10R1.54 NC1=NC(CC(=O)O)=CS1 30319 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,0,0,0,0,1|2,0,0]=3 252 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,0,0,0,0,1|2,0,0]=3 263 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.113 CC1=CC(B(O)O)=CC=C1 1872 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [0,0,0,0,0,1|1,0,0]=2 268 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [0,0,0,0,0,1|2,0,0]=3 271 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [0,0,0,0,0,1|1,1,0]=3 272 B10R1.113 CC1=CN=CC(B(O)O)=C1 17082 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.113 CC1=CN=CC([N+](=O)[O-])=C1 6645 [0,0,0,0,0,1|2,0,1]=4 274 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [0,0,0,0,0,1|2,0,0]=3 275 B10R1.113 CC1=NC=CC(B(O)O)=C1 10541 [0,0,0,0,0,1|2,0,1]=4 276 B10R1.113 CC1=NC=CC(B(O)O)=C1 3979 [0,0,0,0,0,1|2,0,1]=4 277 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [0,0,0,0,0,1|1,0,0]=2 278 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 1210 [0,0,0,0,0,1|2,0,1]=4 280 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 16641 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 16074 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 NC(=O)C1=CC(N)=NC=C1 16603 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [0,0,0,0,0,1|2,0,0]=3 291 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [0,0,0,0,0,1|2,0,0]=3 292 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.113 NC1=CN=CC(C(=O)O)=N1 32113 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.113 NC1=NC=CC(C(=O)O)=N1 29010 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 16064 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [0,0,0,0,0,1|2,0,0]=3 301 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [0,0,0,0,0,1|2,0,0]=3 304 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [0,0,0,0,0,1|2,0,0]=3 305 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [0,0,0,0,0,1|2,0,0]=3 306 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [0,0,0,0,0,1|2,0,0]=3 308 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [0,0,0,0,0,1|2,0,0]=3 310 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [0,0,0,0,0,1|2,0,0]=3 314 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [0,0,0,0,0,1|2,0,0]=3 315 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 27951 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 34398 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 16687 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [0,0,0,0,0,1|2,0,0]=3 325 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [0,0,0,0,0,1|2,0,0]=3 326 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 22102 [0,0,0,0,0,1|3,0,0]=4 327 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [0,0,0,0,0,1|2,0,0]=3 328 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [0,0,0,0,0,1|2,0,0]=3 329 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 23631 [0,0,0,0,0,1|2,0,0]=3 330 B10R1.113 O=C(O)C1=NC=NC(O)=C1 12436 [0,0,0,0,0,1|2,0,0]=3 331 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [0,0,0,0,0,1|2,0,1]=4 332 B10R1.113 O=C1C=C(C(=O)O)C=NN1 22764 [0,0,0,0,0,1|2,0,0]=3 333 B10R1.113 O=C1N=CC=C(C(=O)O)N1 34394 [0,0,0,0,0,1|3,0,0]=4 334 B7R0.4 CCO\C=C\C(=O)O 20958 [1,0,1,0,0,0|0,1,1]=4 335 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [1,0,1,0,0,0|1,0,1]=4 336 B7R0.6 O=C(O)\C=C\C(=O)O 21784 [1,0,1,0,0,0|1,1,0]=4 337 B7R1.1 BrCC1=CSC=C1 5295 [2,0,0,0,0,0|1,0,1]=4 338 B7R1.1 C#CC1=CSC=C1 16122 [2,0,0,0,0,0|1,0,1]=4 339 B7R1.1 COC1=CSC=C1 8863 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.1 N#CC1=CSC=C1 12351 [2,0,0,0,0,0|1,0,1]=4 341 B7R1.1 N#CC1=CSC=C1 5508 [2,0,0,0,0,0|1,0,1]=4 342 B7R1.1 NCC1=CSC=C1 12348 [2,0,0,0,0,0|1,0,1]=4 343 B7R1.1 O=CC1=CC=CN1 28928 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.1 O=CC1=CC=CN1 9140 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.1 O=CC1=CC=CO1 24739 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.1 O=CC1=CC=CS1 5153 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.1 O=CC1=CN=CS1 14219 [2,0,0,0,0,0|2,0,0]=4 348 B7R1.1 O=CC1=CNC=C1 18051 [2,0,0,0,0,0|1,0,0]=3 349 B7R1.1 O=CC1=CNC=N1 8980 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.1 O=CC1=CNN=C1 23658 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.1 O=CC1=CNN=C1 36037 [2,0,0,0,0,0|2,0,0]=4 352 B7R1.1 O=CC1=CNN=C1 36038 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.1 O=CC1=COC=C1 6948 [2,0,0,0,0,0|0,1,0]=3 354 B7R1.1 O=CC1=CSC=C1 5176 [2,0,0,0,0,0|0,0,0]=2 355 B7R1.1 O=CC1=CSC=N1 13812 [2,0,0,0,0,0|1,0,0]=3 356 B7R1.1 O=CC1=NNC=C1 14337 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.1 O=CC1=NOC=C1 14352 [2,0,0,0,0,0|1,1,0]=4 358 B7R1.1 O=C[C-]1C=CC=C1 18830 [2,0,0,0,0,0|1,0,1]=4 359 B7R1.1 OCC1=COC=C1 6951 [2,0,0,0,0,0|0,1,1]=4 360 B7R1.1 OCC1=CSC=C1 8860 [2,0,0,0,0,0|0,0,1]=3 361 B7R1.2 BrC1=CSC(Br)=C1 1908 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.2 CC1=CC(=O)CC1 25608 [2,0,0,0,0,0|1,0,1]=4 363 B7R1.2 CC1=CC(Br)=CS1 5261 [2,0,0,0,0,0|1,0,0]=3 364 B7R1.2 CC1=CC(O)=NO1 8647 [2,0,0,0,0,0|1,1,0]=4 365 B7R1.2 CC1=CC=C(O)O1 22254 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.2 CC1=CNC(C)=C1 24003 [2,0,0,0,0,0|1,0,1]=4 367 B7R1.2 CC1=COC(O)=C1 22255 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.2 CC1=CSC(C)=N1 9937 [2,0,0,0,0,0|1,0,1]=4 369 B7R1.2 CC1=NC(I)=CS1 32433 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.7 O\N=C\C1=CSC(Br)=C1 20300 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.21 CCN1C=C(C=O)C=N1 16775 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.21 COC1=NC=C(C=O)S1 34880 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.21 N#CC1=CSC(CN)=C1 16613 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.21 N#CC1=CSC(CN)=C1 16617 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.21 O=CC1=CC=C(CCl)O1 23444 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.21 O=CC1=CC=C(CO)O1 35936 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.22 CC1=CC(C#N)=C(N)S1 5221 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.22 CC1=CC(C)=C(C=O)N1 2127 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.22 CC1=NN(C)C(C=O)=C1 27254 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.23 CC1=C(C)SC(C=O)=C1 20559 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.132 CC1=C(C=O)C=NN1C 24674 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.132 CC1=NC=C(C=O)N1C 35311 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.11 COC(=O)C1=CC=CN1 9141 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.11 COC(=O)C1=CC=CO1 7090 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.11 COC(=O)C1=CC=CS1 19955 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.11 COC(=O)C1=CN=CS1 17249 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.11 COC(=O)C1=CNC=C1 22507 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.11 COC(=O)C1=CNC=N1 16142 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.11 COC(=O)C1=CSC=N1 15784 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.11 COC(=O)C1=NNC=C1 14332 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.41 CC(=O)C1=CNC=C1C 22818 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.41 CC1=C(C(=O)O)C=NO1 8652 [1,1,0,0,0,0|1,1,0]=4 393 B9R1.41 CC1=C(C(=O)O)SC=C1 5182 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.41 CC1=C(C(=O)O)SC=N1 8416 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.41 CC1=CNN=C1C(=O)O 19201 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.41 CC1=CSC=C1B(O)O 6438 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.41 CC1=CSC=C1C(=O)O 24253 [1,1,0,0,0,0|0,0,0]=2 398 B9R1.41 CC1=NOC=C1C(=O)O 10465 [1,1,0,0,0,0|1,1,0]=4 399 B9R1.41 CC1=NSC=C1C(=O)O 24648 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.41 CN1C=CC=C1C(=O)O 9181 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.41 CN1C=NC=C1C(=O)O 20954 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.41 CN1N=CC=C1C(=O)O 16306 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.41 NC(=O)C1=C(N)SC=N1 25297 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.41 NC(=O)C1=C(N)SN=C1 31704 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.41 NC1=NNC=C1C(=O)O 11081 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.41 O=C(O)C1=C(Br)C=CS1 10096 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.41 O=C(O)C1=C(Br)SC=C1 32434 [1,1,0,0,0,0|0,0,0]=2 408 B9R1.41 O=C(O)C1=C(Br)SC=N1 8916 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.41 O=C(O)C1=C(Cl)C=CS1 5491 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.41 O=C(O)C1=C(Cl)SC=C1 32436 [1,1,0,0,0,0|0,0,0]=2 411 B9R1.41 O=C(O)C1=CSC=C1Br 33364 [1,1,0,0,0,0|0,0,0]=2 412 B9R1.41 O=[N+]([O-])C1=C(Cl)SC=C1 5466 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.41 OB(O)C1=C(Cl)SC=C1 1794 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.41 OB(O)C1=CSC=C1Br 5337 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,1,0,0,0,1|1,0,1]=4 416 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,1,0,0,0,1|1,0,1]=4 417 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [0,1,0,0,0,1|1,0,0]=3 422 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,1,0,0,0,1|1,0,0]=3 423 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,1,0,0,0,1|1,0,0]=3 425 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,1,0,0,0,1|1,0,0]=3 427 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [0,1,0,0,0,1|1,0,0]=3 428 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,1,0,0,0,1|1,0,1]=4 432 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 16740 [0,1,0,0,0,1|1,0,1]=4 433 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 16844 [0,1,0,0,0,1|1,0,1]=4 434 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 6700 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,1,0,0,0,1|1,0,0]=3 441 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,1,0,0,0,1|1,0,1]=4 443 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11532 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11533 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 12609 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16860 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16861 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 17362 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 19403 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22148 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22657 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 26313 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,1,0,0,0,1|1,0,0]=3 460 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [0,1,0,0,0,1|1,0,0]=3 461 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [0,1,0,0,0,1|1,0,0]=3 463 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [0,1,0,0,0,1|1,0,0]=3 466 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [0,1,0,0,0,1|1,0,0]=3 468 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [0,1,0,0,0,1|1,0,0]=3 471 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] 8885 [0,1,0,0,0,1|1,0,0]=3 474 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 29226 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=N1 29224 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 29225 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 29097 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 17514 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 24637 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 12922 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 12968 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 29238 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24638 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 21829 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.21 O=C(O)C1=CN=C(F)C(Cl)=C1 36069 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 18429 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,0,1|1,0,1]=4 524 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,1,0,0,0,1|1,0,0]=3 530 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 27820 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [0,1,0,0,0,1|1,0,0]=3 540 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 9777 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.22 COC(=O)C1=CN=C(N)N=C1 27978 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.22 COC(=O)C1=CNC(=O)N=C1 34673 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 21394 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.22 COC(=O)C1=NC=C(N)N=C1 32171 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 33689 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 10626 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=C1 35774 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [0,1,0,0,0,1|1,0,0]=3 564 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 4030 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 5702 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 26524 [0,1,0,0,0,1|1,0,0]=3 570 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 11019 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 34358 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 13462 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 26435 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 11211 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 1323 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 22552 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 3109 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 4693 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 23542 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 33343 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 3856 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 4028 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 1314 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 3586 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 21313 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 18521 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 1370 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 10153 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 4561 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 1225 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 1313 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 1374 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 1336 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 1384 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 2608 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 13466 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 4018 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 1389 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 27646 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 4010 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 3845 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 3493 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 3888 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br 14391 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 14392 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.166 O=C(O)C1=CN=C(Cl)N=C1Cl 35960 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.166 O=C(O)C1=CN=C(O)N=C1O 9623 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br 17568 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl 17527 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 23193 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 4005 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F 17534 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl 27639 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 23556 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 35120 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.23 COC(=O)C1=CC(=O)NC=C1 23888 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.23 COC(=O)C1=CC(=O)NC=N1 23276 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 3961 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 15172 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 36244 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 4067 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.23 COC(=O)C1=CC(F)=CC=C1 25450 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.23 COC(=O)C1=CC(F)=NC=C1 13579 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.23 COC(=O)C1=CC(I)=CC=C1 28675 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.23 COC(=O)C1=CC(I)=NC=C1 26906 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.23 COC(=O)C1=CC(N)=CC=C1 16709 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.23 COC(=O)C1=CC(N)=NC=C1 33513 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.23 COC(=O)C1=CC(N)=NC=C1 4069 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.23 COC(=O)C1=CC(O)=CC=C1 12550 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.23 COC(=O)C1=CC(S)=CC=C1 20230 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.23 COC(=O)C1=CC=CC(C)=C1 15491 [0,1,0,0,0,1|1,0,0]=3 632 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 22051 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.23 COC(=O)C1=CN=CC(C)=C1 27511 [0,1,0,0,0,1|1,0,0]=3 634 B11R1.23 COC(=O)C1=NC(C)=CC=C1 20955 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.23 COC(=O)C1=NC(C)=CN=C1 32142 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 12733 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9224 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9577 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.23 COC(=O)C1=NC=CC(I)=C1 25750 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.23 COC(=O)C1=NC=CC(N)=C1 26057 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 23630 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 10937 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.74 CC(=O)C1=CC(Br)=CC(C)=C1 31218 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 24402 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 30472 [0,1,0,0,0,1|1,0,0]=3 646 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 14397 [0,1,0,0,0,1|1,0,0]=3 647 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 17665 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 1396 [0,1,0,0,0,1|1,0,0]=3 649 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 18175 [0,1,0,0,0,1|1,0,0]=3 650 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 15465 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 15440 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 4979 [0,1,0,0,0,1|1,0,0]=3 653 B11R1.74 CC1=NC(=O)C=C(C(=O)O)N1 32234 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 30637 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 32194 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 10455 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 28526 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 21025 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 17213 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 3861 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 13461 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 2154 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 3788 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 27678 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 11161 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 28613 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 1373 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 3650 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.74 O=C(O)C1=CC(Cl)=CC(O)=C1 30474 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 9235 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 2173 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 28646 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 30475 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 14394 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 3839 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 17219 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 9162 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 36058 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 33329 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 33330 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 33328 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 36034 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 22281 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.155 CC1=CN=CC(S(=O)(=O)O)=C1 16071 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 19771 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 31221 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 29253 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br 4717 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 8362 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.159 CC1=C(C(=O)O)C=CC=C1F 1329 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.159 CC1=C(C(=O)O)C=CC=C1I 22968 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.159 CC1=C(C(=O)O)C=CC=C1N 10921 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 15694 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O 33666 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C 28637 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br 3805 [0,1,0,0,0,1|1,0,0]=3 697 B11R1.159 CC1=CC=CC(C(=O)O)=C1C 2549 [0,1,0,0,0,1|1,0,0]=3 698 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl 4566 [0,1,0,0,0,1|1,0,0]=3 699 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 1328 [0,1,0,0,0,1|1,0,0]=3 700 B11R1.159 CC1=CC=CC(C(=O)O)=C1I 12741 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 4950 [0,1,0,0,0,1|1,0,0]=3 702 B11R1.159 CC1=CC=CC(C(N)=O)=C1F 4573 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.159 CC1=CC=CC(C(N)=O)=C1N 26013 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O 6655 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br 9022 [0,1,0,0,0,1|2,0,0]=4 706 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl 4639 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 1356 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 30459 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.159 NC1=C(C(=O)O)C=CC=C1I 22551 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl 34201 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.159 NC1=C(Cl)C=NC=C1C(=O)O 6656 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 22539 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 10348 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.159 NC1=CC=CC(C(=O)O)=C1F 2533 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 3145 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.159 NC1=CC=CC(C(=O)O)=C1O 14474 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 28610 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 27754 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 33724 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 33817 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 1319 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.159 O=C(O)C1=C(Br)C(I)=CC=C1 30460 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.159 O=C(O)C1=C(Br)C(O)=CC=C1 27698 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 26335 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 8198 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 22306 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 1369 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.159 O=C(O)C1=C(Cl)C(I)=CC=C1 30702 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 30633 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 1318 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 1332 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 17055 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 26679 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 1379 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 18431 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 1383 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 4959 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.159 O=C(O)C1=C(I)C(Br)=NC=C1 26925 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.159 O=C(O)C1=C(I)C(F)=CC=C1 1387 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.159 O=C(O)C1=C(I)C(O)=CC=C1 28114 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 28569 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 4960 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 3119 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 18184 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl 27725 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 4237 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 16936 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 27246 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 4728 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 4578 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 1326 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 4520 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 4980 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 25813 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 2166 [0,1,0,0,0,1|1,0,0]=3 756 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 28638 [0,1,0,0,0,1|1,0,0]=3 757 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 12501 [0,1,0,0,0,1|1,0,0]=3 758 B11R1.167 CC1=CC(C(=O)O)=C(Cl)N=C1 33728 [0,1,0,0,0,1|1,0,0]=3 759 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 4750 [0,1,0,0,0,1|1,0,0]=3 760 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 4975 [0,1,0,0,0,1|1,0,0]=3 761 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 4954 [0,1,0,0,0,1|1,0,0]=3 762 B11R1.167 CC1=CC(C(=O)[O-])=C(I)C=C1 29722 [0,1,0,0,0,1|1,0,1]=4 763 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 13743 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 34738 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 27975 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 3719 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 5708 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 3575 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=N1 5716 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 1322 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 2543 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 15307 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 4637 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 4654 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 34240 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 1325 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O 1249 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 2998 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.167 NC1=NC=C(Br)C(C(=O)O)=C1 9753 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 17623 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 3859 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 3584 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 1315 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 3787 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 30462 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 20950 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.167 O=C(O)C1=C(Br)N=CC(F)=C1 19483 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 3587 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 3685 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 1371 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 3649 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 16487 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.167 O=C(O)C1=C(Cl)N=CC(Br)=C1 12967 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.167 O=C(O)C1=C(Cl)N=CC(Cl)=C1 2601 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 9827 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 32399 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 9529 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 1312 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 1375 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 4935 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 1385 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 2260 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.167 O=C(O)C1=C(F)N=CC(Br)=C1 17103 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.167 O=C(O)C1=C(F)N=CC(Cl)=C1 14328 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 22311 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 3789 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 3818 [0,1,0,0,0,1|2,0,0]=4 808 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 1391 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 3838 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 1382 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 3889 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 14414 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 2602 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.167 O=C(O)C1=C(O)N=CC(Cl)=C1 12990 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.167 O=C(O)C1=C(O)N=CC(F)=C1 10622 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.167 O=C(O)C1=C(S)C=CC(F)=C1 24688 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 13559 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1F 2565 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.167 O=C(O)C1=CC(F)=NC=C1Cl 15263 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.167 O=C(O)C1=CC(F)=NC=C1F 22304 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.167 O=C1C=C(C(=O)O)C(O)=CN1 23617 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 36178 [0,1,0,0,0,1|1,0,1]=4 823 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 23456 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 3092 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.266 COC1=CC(C(=O)O)=CN=C1 27158 [0,1,0,0,0,1|1,0,0]=3 826 B11R1.266 COC1=CC(C(=O)O)=NC=C1 16686 [0,1,0,0,0,1|1,0,0]=3 827 B11R1.266 COC1=CC(C(=O)O)=NC=N1 27976 [0,1,0,0,0,1|1,0,0]=3 828 B11R1.266 COC1=CC(C(C)=O)=NC=C1 33636 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.266 COC1=CC(C(N)=O)=NC=C1 9294 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 35489 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.266 COC1=CC=CC(C(=O)O)=C1 9012 [0,1,0,0,0,1|1,0,0]=3 832 B11R1.266 COC1=CC=CC(C(=O)O)=N1 15165 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.266 COC1=CC=CC(C(=O)O)=N1 17144 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.266 COC1=CC=CC(C(C)=O)=C1 9201 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.266 COC1=CN=CC(C(=O)O)=N1 27952 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.266 COC1=NC=CC(C(=O)O)=C1 9293 [0,1,0,0,0,1|1,0,0]=3 837 B11R1.266 COC1=NC=CC(C(=O)O)=N1 32428 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 10679 [0,1,0,0,0,1|1,0,0]=3 839 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 20970 [0,1,0,0,0,1|1,0,0]=3 840 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 15403 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 32221 [0,1,0,0,0,1|1,0,1]=4 842 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 25947 [0,1,0,0,0,1|1,0,1]=4 843 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 14415 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 16448 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 9744 [0,1,0,0,0,1|1,0,0]=3 846 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 7446 [0,1,0,0,0,1|1,0,0]=3 847 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 30672 [0,1,0,0,0,1|1,0,1]=4 848 B11R1.15 CCOC(=O)C1=CC(C)=CN1 22960 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.15 CCOC(=O)C1=CC(C)=NN1 7843 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.15 CCOC(=O)C1=CN(C)N=C1 23710 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 17466 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.15 CCOC(=O)C1=CSC(C)=N1 9870 [0,2,0,0,0,0|1,0,0]=3 853 B11R1.15 CCOC(=O)C1=CSC(N)=N1 9935 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.15 CCOC(=O)C1=NOC(C)=C1 8773 [0,2,0,0,0,0|1,1,0]=4 855 B11R1.44 COC(=O)C1=CC=C(CCl)O1 24261 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.44 COC(=O)C1=COC(CCl)=N1 22375 [0,2,0,0,0,0|1,1,0]=4 857 B11R1.44 COC(=O)C1=CSC(C=O)=C1 7741 [0,2,0,0,0,0|0,0,1]=3 858 B11R1.44 COC(=O)C1=CSC(CCl)=N1 22571 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.44 COC(=O)c1ccc(CBr)s1 23906 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.225 COC(=O)C1=C(Br)SC(N)=N1 8899 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 27986 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.225 COC(=O)C1=C(Cl)SC(N)=N1 8901 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.225 COC(=O)C1=CC(C)=NN1N 14869 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 5555 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.50 CCC1=NC(C(=O)O)=C(C)N1 16038 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.50 CCC1=NC(C(=O)O)=C(C)N1 17030 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.124 O=C(O)C1=CC=C(CCO)S1 19515 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.175 CC(=O)C1=CSC([N+](=O)[O-])=C1 5217 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 36281 [0,2,0,0,0,0|1,1,0]=4 870 B11R1.175 O=C(O)C1=NSC([N+](=O)[O-])=C1 19290 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.49 CCN1N=C(C)C=C1C(=O)O 35143 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O 25944 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.673 CC1=NN(C)C(Cl)=C1C(=O)O 23627 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.64 COC1=C(Cl)SC=C1C(=O)Cl 5473 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,1,1,0,0|1,0,1]=4 876 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,0,1,1,0,0|2,0,0]=4 877 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [1,0,0,0,0,1|1,0,0]=3 878 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [1,0,0,0,0,1|1,0,0]=3 879 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [1,0,0,0,0,1|2,0,0]=4 880 B9R1.2 CC1=CN=CC(CO)=C1 22640 [1,0,0,0,0,1|1,0,1]=4 881 B9R1.2 CC1=NC=CC(C=O)=N1 21493 [1,0,0,0,0,1|2,0,0]=4 882 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [1,0,0,0,0,1|2,0,0]=4 883 B9R1.2 O=CC1=CC(Br)=CN=C1 7706 [1,0,0,0,0,1|2,0,0]=4 884 B9R1.2 O=CC1=CC(Br)=NC=C1 5075 [1,0,0,0,0,1|2,0,0]=4 885 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [1,0,0,0,0,1|2,0,0]=4 886 B9R1.2 O=CC1=CC(Cl)=NC=C1 5099 [1,0,0,0,0,1|2,0,0]=4 887 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [1,0,0,0,0,1|2,0,0]=4 888 B9R1.2 O=CC1=CC(F)=NC=C1 17094 [1,0,0,0,0,1|2,0,0]=4 889 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [1,0,0,0,0,1|2,0,0]=4 890 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [1,0,0,0,0,1|2,0,0]=4 891 B9R1.2 O=CC1=CC(O)=CN=C1 23673 [1,0,0,0,0,1|2,0,0]=4 892 B9R1.2 O=CC1=CC(O)=NC=C1 9345 [1,0,0,0,0,1|2,0,0]=4 893 B9R1.2 O=CC1=CN=CC(Br)=C1 16604 [1,0,0,0,0,1|2,0,0]=4 894 B9R1.2 O=CC1=CN=CC(Cl)=C1 16702 [1,0,0,0,0,1|2,0,0]=4 895 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [1,0,0,0,0,1|2,0,0]=4 896 B9R1.2 O=CC1=CN=CC(I)=C1 16653 [1,0,0,0,0,1|2,0,0]=4 897 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [1,0,0,0,0,1|2,0,0]=4 898 B9R1.13 O=C(O)CC1=CC=CO1 17310 [1,0,0,0,0,1|2,0,0]=4 899 B9R1.13 O=C(O)CC1=CC=CS1 5168 [1,0,0,0,0,1|2,0,0]=4 900 B9R1.13 O=C(O)CC1=CSC=C1 5586 [1,0,0,0,0,1|0,0,0]=2 901 B9R1.13 O=C(O)CN1C=CN=C1 7609 [1,0,0,0,0,1|2,0,0]=4 902 B9R1.13 O=C(O)CN1C=CN=C1 8383 [1,0,0,0,0,1|2,0,0]=4 903 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,0,0,0,0,2|2,0,0]=4 904 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,0,0,0,0,2|1,1,0]=4 905 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,0,0,0,0,2|2,0,0]=4 906 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,0,0,0,0,2|2,0,0]=4 907 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,0,0,0,0,2|2,0,0]=4 908 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,0,0,0,0,2|2,0,0]=4 909 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,0,0,0,0,2|2,0,0]=4 910 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,0,0,0,0,2|2,0,0]=4 911 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,0,0,0,0,2|2,0,0]=4 912 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,0,0,0,0,2|2,0,0]=4 913 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,0,0,0,0,2|2,0,0]=4 914 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,0,0,0,0,2|2,0,0]=4 915 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,0,0,0,0,2|2,0,0]=4 916 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,0,0,0,0,2|2,0,0]=4 917 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [0,0,0,0,0,2|2,0,0]=4 918 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,0,0,0,0,2|2,0,0]=4 919 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,0,0,0,0,2|1,0,0]=3 920 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,0,0,0,0,2|2,0,0]=4 921 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,0,0,0,0,2|2,0,0]=4 922 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,0,0,0,0,2|2,0,0]=4 923 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,0,0,0,0,2|2,0,0]=4 924 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,0,0,0,0,2|2,0,0]=4 925 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,0,0,0,0,2|2,0,0]=4